(3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C10H11BrN4O — CID 126622509

IUPAC(3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1cncc(Br)n1)[C@@H]1C[C@H]2CC2N1
InChIInChI=1S/C10H11BrN4O/c11-8-3-12-4-9(14-8)15-10(16)7-2-5-1-6(5)13-7/h3-7,13H,1-2H2,(H,14,15,16)/t5-,6?,7+/m1/s1
InChIKeyQHRLAICGQASOEO-UYMSWOSGSA-N
MW283.13 g/mol
LogP0.93
Rot. Bonds2

About (3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

(3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 126622509) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is (3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID126622509
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name(3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1cncc(Br)n1)[C@@H]1C[C@H]2CC2N1
InChIInChI=1S/C10H11BrN4O/c11-8-3-12-4-9(14-8)15-10(16)7-2-5-1-6(5)13-7/h3-7,13H,1-2H2,(H,14,15,16)/t5-,6?,7+/m1/s1
InChIKeyQHRLAICGQASOEO-UYMSWOSGSA-N
XLogP0.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020380
(1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 175857408
N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168753845
(1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 166518234
(1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167316680
N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 140776836
(1S,3S,5S)-N-(1H-pyrazol-4-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131089748
(1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 126618396
N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168753842
CID 161474822
CID 161474822
N-(6-bromopyrazin-2-yl)-2-chloroacetamide
CID 130299627
CID 159013732
CID 159013732

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 126622509) is (3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1cncc(Br)n1)[C@@H]1C[C@H]2CC2N1.
What is the InChIKey of (3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is QHRLAICGQASOEO-UYMSWOSGSA-N. The full InChI is InChI=1S/C10H11BrN4O/c11-8-3-12-4-9(14-8)15-10(16)7-2-5-1-6(5)13-7/h3-7,13H,1-2H2,(H,14,15,16)/t5-,6?,7+/m1/s1.
What are the key properties of (3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 283.13 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 126622509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).